SCHEMBL7559544

SCHEMBL7559544

CCOC(=O)c1ccc(Br)c(OCC)c1N(CC)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 4/20 0.38
GAA P10253 2/20 0.37
RECQL P46063 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 5/20 0.35
LMNA P02545 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7556733 0.90 MEN1 (0.43) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL7553645 0.89 MAPT (0.37) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL7557951 0.88 HSD17B10 (0.40) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL7556110 0.86 TSHR (0.41) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL7550221 0.77 KMT2A (0.46) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL7552047 0.76 HSD17B10 (0.39) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL7557970 0.76 TSHR (0.41) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL9304224 0.76 MAPT (0.51) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL7559624 0.76 MAPT (0.51) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL7555575 0.75 LMNA (0.32) MAPTALDH1A1HSD17B10TSHRSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734380-B1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD (GB) 2002-07-10 EP disclosed
US-6369270-B1 CHEMICAL INTERMEDIATES RHONE POULENC AGRICULTURE LIMITED (GB) 2002-04-09 US disclosed
US-6114538-A 2-POSITION OF BENZOY RING OF 4-BENZOYLISOXAZOLE DERIVATIVE IS SUBSTITUTED AND PARTICULARLY USED AGAINST MONOCOTYLEDONOUS WEEDS BY POST-EMEREGENECE APPLICATION RHONE POULENC AGRICULTURE LIMITED (GB) 2000-09-05 US disclosed
US-5998653-A CHEMICAL INTERMEDIATE FOR HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1999-12-07 US disclosed
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US disclosed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP disclosed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 WO disclosed